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117420-81-2 | 4-Thiazolamine, 2-[(1-methylethyl)thio]-5-(phenylsulfonyl)-
CAS No: 117420-81-2 Catalog No: AG000EAQ MDL No:
Product Description
Catalog Number:
AG000EAQ
Chemical Name:
4-Thiazolamine, 2-[(1-methylethyl)thio]-5-(phenylsulfonyl)-
CAS Number:
117420-81-2
Molecular Formula:
C12H14N2O2S3
Molecular Weight:
314.4468
IUPAC Name:
5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine
InChI:
InChI=1S/C12H14N2O2S3/c1-8(2)17-12-14-10(13)11(18-12)19(15,16)9-6-4-3-5-7-9/h3-8H,13H2,1-2H3
InChI Key:
UQHXEZBHUIHZAS-UHFFFAOYSA-N
SMILES:
CC(Sc1nc(c(s1)S(=O)(=O)c1ccccc1)N)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.022g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.436g/mol
Monoisotopic Mass:
314.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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